Acetone semicarbazone
TL;DR: Acetone semicarbazone (CAS 110-20-3) is a chemical compound with molecular formula C4H9N3O and molecular weight 115.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylideneamino)urea
Also Known As: Acetone semicarbazone, Acetonesemicarbazone, Acetone, semicarbazone, (propan-2-ylideneamino)urea, 2-Propanone, semicarbazone
| Molecular Formula | C4H9N3O |
|---|---|
| Molecular Weight | 115.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.07456 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 110-20-3 |
|---|---|
| SMILES | CC(=NNC(=O)N)C |
| InChIKey | HQDAJGNZGNZGCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetone semicarbazone (CAS 110-20-3), with molecular formula C4H9N3O and molecular weight 115.07 g/mol. IUPAC: (propan-2-ylideneamino)urea.
Chemical Property Profile of Acetone semicarbazone
Property Insights of Acetone semicarbazone
The XLogP value of -0.8 indicates that Acetone semicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetone semicarbazone. Following Lipinski's Rule of Five, Acetone semicarbazone has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetone semicarbazone?
The CAS number of Acetone semicarbazone is 110-20-3.
What is the molecular formula of Acetone semicarbazone?
The molecular formula of Acetone semicarbazone is C4H9N3O.
What is the molecular weight of Acetone semicarbazone?
The molecular weight of Acetone semicarbazone is 115.07 g/mol.
Where can I buy Acetone semicarbazone?
You can request a quote for Acetone semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetone semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Acetone semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.